8J52
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase mutant D304A in complex with alpha-1,4-galactobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 71.499, 72.543, 81.202 |
Unit cell angles | 101.92, 104.40, 103.71 |
Refinement procedure
Resolution | 46.044 - 1.900 |
Rwork | 0.136 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.623 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.044 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.071 | 0.591 |
Rmeas | 0.101 | 0.699 |
Rpim | 0.071 | 0.494 |
Number of reflections | 113161 | 5559 |
<I/σ(I)> | 7.8 | 1.6 |
Completeness [%] | 97.4 | |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1 M sodium chloride, 50 mM MES-NaOH, pH 6.0 |